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4H-Thieno[2,3-b]thiopyran-4-ol,5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6S)- (147128-77-6)

Identification
Name:4H-Thieno[2,3-b]thiopyran-4-ol,5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6S)-
Synonyms:4H-Thieno[2,3-b]thiopyran-4-ol,5,6-dihydro-6-methyl-, 7,7-dioxide, (4R-cis)-;
CAS:147128-77-6
Molecular Formula: C8H10O3S2
Molecular Weight: 0
InChI: InChI=1/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3/t5-,7+/m0/s1
Molecular Structure: (C8H10O3S2) 4H-Thieno[2,3-b]thiopyran-4-ol,5,6-dihydro-6-methyl-, 7,7-dioxide, (4R-cis)-;
Properties
Density:1.462
Refractive index:1.609
Specification:

The (4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide, with the CAS registry number 147128-77-6, is also called (4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide. The molecular formula of the chemical is C8H10O3S2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 30; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 90.99 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 51.673 cm3; (15)Molar Volume: 149.293 cm3; (16)Polarizability: 20.485×10-24cm3; (17)Surface Tension: 49.153 dyne/cm; (18)Density: 1.462 g/cm3; (19)Flash Point: 215.876 °C; (20)Enthalpy of Vaporization: 72.654 kJ/mol; (21)Boiling Point: 433.338 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S2(=O)c1sccc1[C@H](O)C[C@@H]2C
(2)InChI: O=S2(=O)c1sccc1[C@H](O)C[C@@H]2C
(3)InChIKey: NFUQUGUUAUVBMO-CAHLUQPWBR

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